Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30375718 | 0.70 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL30452062 | 0.70 | ALDH1A1 (0.55) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL4606902 | 0.70 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL4398810 | 0.70 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL20959 | 0.70 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL789738 | 0.70 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL3519494 | 0.70 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL8163694 | 0.70 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL22162812 | 0.70 | CA12 (0.58) | CYP3A4ALDH1A1HSD17B10TDP1MAPT | |
| SCHEMBL29465203 | 0.70 | MAPT (0.63) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712417-A | Inhibitors of retroviral proteases | ABBOTT LABORATORIES (US) | 1998-01-27 | — | — | US | disclosed |
| US-4180670-A | Amino pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1979-12-25 | — | — | US | disclosed |
| US-3959475-A | ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC | AMERICAN HOECHST CORPORATION (US) | 1976-05-25 | — | — | US | disclosed |